1-[2-[butyl(2-oxidanylpropyl)amino]ethylamino]-6-chloranyl-4-methyl-thioxanthen-9-one hydrochloride

Systemtic Name: 1-[2-[butyl(2-oxidanylpropyl)amino]ethylamino]-6-chloranyl-4-methyl-thioxanthen-9-one hydrochloride Openeye Name: 1-[2-[butyl(2-hydroxypropyl)amino]ethylamino]-6-chloro-4-methyl-thioxanthen-9-one hydrochloride CAS Name: 1-[2-[butyl(2-hydroxypropyl)amino]ethylamino]-6-chloro-4-methyl-9-thioxanthenone hydrochloride IUPAC Name: 1-[2-[butyl(2-hydroxypropyl)amino]ethylamino]-6-chloro-4-methylthioxanthen-9-one hydrochloride Traditional Name: 1-[2-[butyl(2-hydroxypropyl)amino]ethylamino]-6-chloro-4-methyl-thioxanthen-9-one hydrochloride Formula: C23H30Cl2N2O2S MolecularWeight: 469.4675

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=CC(=C3)Cl)CC(C)O.Cl

Isomeric SMILES

CCCCN(CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=CC(=C3)Cl)CC(C)O.Cl

InChI

InChI=1S/C23H29ClN2O2S.ClH/c1-4-5-11-26(14-16(3)27)12-10-25-19-9-6-15(2)23-21(19)22(28)18-8-7-17(24)13-20(18)29-23;/h6-9,13,16,25,27H,4-5,10-12,14H2,1-3H3;1H